1-cyclopentyl-4-[(2S)-2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-2-one

C17H21FN2O3 — CID 99929160

IUPAC1-cyclopentyl-4-[(2S)-2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-2-one
SMILESO=C([C@@H](O)c1ccccc1F)N1CCN(C2CCCC2)C(=O)C1
InChIInChI=1S/C17H21FN2O3/c18-14-8-4-3-7-13(14)16(22)17(23)19-9-10-20(15(21)11-19)12-5-1-2-6-12/h3-4,7-8,12,16,22H,1-2,5-6,9-11H2/t16-/m0/s1
InChIKeyRGYKYLWTUKEOPX-INIZCTEOSA-N
MW320.36 g/mol
LogP1.47
Rot. Bonds3

About 1-cyclopentyl-4-[(2S)-2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-2-one

1-cyclopentyl-4-[(2S)-2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-2-one (PubChem CID 99929160) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(2S)-2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[(2S)-2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-2-one
PubChem CID99929160
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name1-cyclopentyl-4-[(2S)-2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-2-one
SMILESO=C([C@@H](O)c1ccccc1F)N1CCN(C2CCCC2)C(=O)C1
InChIInChI=1S/C17H21FN2O3/c18-14-8-4-3-7-13(14)16(22)17(23)19-9-10-20(15(21)11-19)12-5-1-2-6-12/h3-4,7-8,12,16,22H,1-2,5-6,9-11H2/t16-/m0/s1
InChIKeyRGYKYLWTUKEOPX-INIZCTEOSA-N
XLogP1.47
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-4-[2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-2-one
CID 77081733
4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-cyclopentylpiperazin-2-one
CID 77082700
(2S)-1-[4-(azepan-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone
CID 125171393
1-cyclopropyl-4-(2-phenylpropanoyl)piperazin-2-one
CID 119034196
1-cyclopropyl-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one
CID 71979870
4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-1-cyclohexylpiperazin-2-one
CID 118775809
4-[(2R)-2-aminopropanoyl]-1-cyclopropylpiperazin-2-one
CID 119326508
1-cyclopropyl-4-(2-phenylacetyl)piperazin-2-one
CID 110720747
4-[(2S)-2-cycloheptyloxypropanoyl]-1-cyclopropylpiperazin-2-one
CID 97321014
(3R)-3-[2-(4-cyclopentyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1-methyl-3-(4-phenylphenyl)pyrrolidine-2,5-dione
CID 42365792
1-cyclopentyl-4-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperazin-2-one
CID 70782658
1-(4-cyclopentylpiperazin-1-yl)-2-hydroxy-2-phenylethanone
CID 111432279

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[(2S)-2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-2-one?
The IUPAC name of 1-cyclopentyl-4-[(2S)-2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-2-one (CID 99929160) is 1-cyclopentyl-4-[(2S)-2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[(2S)-2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[(2S)-2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-2-one is O=C([C@@H](O)c1ccccc1F)N1CCN(C2CCCC2)C(=O)C1.
What is the InChIKey of 1-cyclopentyl-4-[(2S)-2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-2-one?
The InChIKey is RGYKYLWTUKEOPX-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21FN2O3/c18-14-8-4-3-7-13(14)16(22)17(23)19-9-10-20(15(21)11-19)12-5-1-2-6-12/h3-4,7-8,12,16,22H,1-2,5-6,9-11H2/t16-/m0/s1.
What are the key properties of 1-cyclopentyl-4-[(2S)-2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-2-one?
1-cyclopentyl-4-[(2S)-2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-2-one has a molecular weight of 320.36 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(2S)-2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-2-one is sourced from PubChem (CID 99929160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).